Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30659721 | 0.84 | CA12 (0.51) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL30659713 | 0.82 | NPC1 (0.44) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL30659718 | 0.82 | ALDH1A1 (0.44) | ALDH1A1TP53TSHRKMT2ANQO1 | |
| SCHEMBL29132410 | 0.81 | GABRP (0.39) | ALDH1A1MEN1TSHRKMT2ANQO1 | |
| SCHEMBL1627582 | 0.78 | CYP2A6 (0.64) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL15215909 | 0.76 | CA12 (0.52) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL7046637 | 0.76 | MAOA (0.66) | ALDH1A1MEN1TSHRKMT2AMAOA | |
| SCHEMBL15842820 | 0.76 | CA12 (0.55) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL31236780 | 0.76 | CA12 (0.55) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL17787234 | 0.75 | NQO1 (0.61) | CA12CA1CA9ALDH1A1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115057850-B | Aloe-emodin derivative and preparation method and application thereof | 中国医学科学院药用植物研究所 | 2023-11-10 | — | — | CN | disclosed |